Static and dynamic polarizabilities of (CdSe)n (n = 1-16) clusters

Computational Materials Science

Volumn 44, Issue 2, 2008, Pages 728-732

  Jha, Prakash Chandra ^a   Seal, Prasenjit ^b   Sen, Sabyasachi ^b   Ågren, Hans ^a   Chakrabarti, Swapan ^b  

^a ALBANOVA UNIVERSITY CENTER   (Sweden)

^b UNIVERSITY OF CALCUTTA   (India)

Author keywords

Anisotropy; CdSe clusters; DFT; HOMO LUMO gap; Polarizability; Second difference

Indexed keywords

ANISOTROPY; CADMIUM ALLOYS; CADMIUM COMPOUNDS; MOLECULAR MODELING; MOLECULAR ORBITALS; NEODYMIUM LASERS;

CDSE CLUSTERS; DFT; HOMO-LUMO GAP; POLARIZABILITY; SECOND DIFFERENCE;

GALLIUM ALLOYS;

EID: 55649107964     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2008.05.032     Document Type: Article

References (35)

1. Puzder A., Williamson A.J., Gygi F., and Galli G. Phys. Rev. Lett. 92 (2004) 217401-217404
2. Jose R., Zhanpeisov N.U., Fukumura H., Baba Y., and Ishikawa M. J. Am. Chem. Soc. 128 (2006) 629-636
3. Troparevsky M.C., Kronik L., and Chelikowsky J.R. J. Chem. Phys. 119 (2003) 2284-2287
4. Zhao J., Bardecker J.A., Munro A.M., Liu M.S., Niu Y., Ding I.-K., Luo J., Chen B., Jen A.K.-Y., and Ginger D.S. Nano Lett. 6 (2006) 463-467
5. Manna L., Scher E.C., and Alivisatos A.P. J. Am. Chem. Soc. 122 (2000) 12700-12706
6. Li J., and Wang L.W. Nano Lett. 3 (2003) 1357-1363
7. Huynh W.U., Dittmer J.J., and Alivisatos A.P. Science 295 (2002) 2425-2427
8. Peticolas W.L. Annu. Rev. Phys. Chem. 18 (1967) 233-260
9. Denk W., Stricker J.H., and Webb W.W. Science 248 (1990) 73-76
10. Spangler C.W. J. Mater. Chem. 9 (1999) 2013-2020
11. Lee M., Katz E.H., Erben C., Gill D.M., Gopalan P., Heber J.D., and McGee D.J. Science 298 (2002) 1401-1403
12. Luo J., Haller M., Li H., Tang H.-Z., Jen A.K.-Y., Jakka K., Chou C.-H., and Shu C.-F. Macromolecules 37 (2004) 248-250
13. Krauss T.D., and Brus L.E. Phys. Rev. Lett. 83 (1999) 4840-4843
14. Ebenstein Y., Mokari T., and Banin U. Appl. Phys. Lett. 80 (2002) 4033-4035
15. Bowers II M.J., McBride J.R., and Rosenthal S.J. J. Am. Chem. Soc. 127 (2005) 15378-15379
16. Vogel D., Krüger P., and Pollmann J. Phys. Rev. B 54 (1996) 5495-5511
17. Rabani E., Hetényi B., Berne B.J., and Brus L.E. J. Chem. Phys. 110 (1999) 5355-5369
18. Troparevsky M.C., and Chelikowsky J.R. J. Chem. Phys. 114 (2001) 943-949
19. Deglmann P., Ahlrichs R., and Tsereteli K. J. Chem. Phys. 116 (2002) 1585-1597
20. Karamanis P., Maroulis G., and Pouchan C. J. Chem. Phys. 124 (2006) 071101-071102
21. Karamanis P., Maroulis G., and Pouchan C. Chem. Phys. 331 (2006) 19-25
22. Aktsipetrov O.A., Elyutin P.V., Nikulin A.A., and Ostrovskaya E.A. Phys. Rev. B 51 (1995) 17591-17599
23. Sen S., and Chakrabarti S. Phys. Rev. B 74 (2006) 205435-205440
24. Matxain J.M., Mercero J.M., Fowler J.E., and Ugalde J.M. J. Phys. Chem. A 108 (2004) 10502-10508
25. Becke A.D. Phys. Rev. A 38 (1988) 3098-3100
26. Vosko S.H., Wilk L., and Nusair M. Can. J. Phys. 58 (1980) 1200-1211
27. Perdew J.P. Phys. Rev. B 33 (1986) 8822-8824
28. Schäfer A., Horn H., and Ahlrichs R. J. Chem. Phys. 97 (1992) 2571-2577
29. Andrae D., Haussermann U., Dolg M., Stoll H., and Preuss H. Theor. Chim. Acta 77 (1990) 123-141
30. Frisch M.J., et al. Gaussian 03 (2003), Gaussian Inc., Pittsburgh, PA
31. DALTON, a molecular electronic structure program, Release 2.0, 2005, see .
32. Jackson K.A., Yang M., Chaudhuri I., and Frauenheim T. Phys. Rev. A 71 (2005) 033205-033210
33. Pouchan C., Bégué D., and Zhang D.Y. J. Chem. Phys. 121 (2004) 4628-4634
34. Karamanis P., Pouchan C., and Maroulis G. Phys. Rev. A 77 (2008) 013201-013207
35. Karamanis P., and Leszcszynski J. J. Chem. Phys. 128 (2008) 154323-154332